3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine

C15H16ClNO2 — CID 154815318

IUPAC3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
SMILESNCCCOc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNO2/c16-12-2-4-14(5-3-12)19-15-8-6-13(7-9-15)18-11-1-10-17/h2-9H,1,10-11,17H2
InChIKeyNMQHTJVACWCWHU-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.86
Rot. Bonds6

About 3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine

3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine (PubChem CID 154815318) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
PubChem CID154815318
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
SMILESNCCCOc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNO2/c16-12-2-4-14(5-3-12)19-15-8-6-13(7-9-15)18-11-1-10-17/h2-9H,1,10-11,17H2
InChIKeyNMQHTJVACWCWHU-UHFFFAOYSA-N
XLogP3.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
O-[3-(4-chlorophenoxy)propyl]hydroxylamine;hydrochloride
CID 23437061
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
2-[4-(3-chlorophenoxy)phenoxy]ethanamine
CID 19881384
O-[3-(4-chlorophenoxy)propoxy]hydroxylamine;hydrochloride
CID 141354430
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
3-(4-ethynylphenoxy)propan-1-amine
CID 138985437
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine (CID 154815318) is 3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine is NCCCOc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine?
The InChIKey is NMQHTJVACWCWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-12-2-4-14(5-3-12)19-15-8-6-13(7-9-15)18-11-1-10-17/h2-9H,1,10-11,17H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine?
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine has a molecular weight of 277.75 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine is sourced from PubChem (CID 154815318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).